4-fluoro-9,9a-dihydro-1H-cyclopenta[b]naphthalene

C13H11F — CID 69427838

IUPAC4-fluoro-9,9a-dihydro-1H-cyclopenta[b]naphthalene
SMILESFC1=C2C=CCC2Cc2ccccc21
InChIInChI=1S/C13H11F/c14-13-11-6-2-1-4-9(11)8-10-5-3-7-12(10)13/h1-4,6-7,10H,5,8H2
InChIKeyUFAWPBDRXXTDLI-UHFFFAOYSA-N
MW186.23 g/mol
LogP3.50
Rot. Bonds

About 4-fluoro-9,9a-dihydro-1H-cyclopenta[b]naphthalene

4-fluoro-9,9a-dihydro-1H-cyclopenta[b]naphthalene (PubChem CID 69427838) has the molecular formula C13H11F and a molecular weight of 186.23 g/mol. Its IUPAC name is 4-fluoro-9,9a-dihydro-1H-cyclopenta[b]naphthalene.

Molecular Properties

Compound Name4-fluoro-9,9a-dihydro-1H-cyclopenta[b]naphthalene
PubChem CID69427838
Molecular FormulaC13H11F
Molecular Weight186.23 g/mol
Exact Mass186.08
IUPAC Name4-fluoro-9,9a-dihydro-1H-cyclopenta[b]naphthalene
SMILESFC1=C2C=CCC2Cc2ccccc21
InChIInChI=1S/C13H11F/c14-13-11-6-2-1-4-9(11)8-10-5-3-7-12(10)13/h1-4,6-7,10H,5,8H2
InChIKeyUFAWPBDRXXTDLI-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-9,9a-dihydro-1H-cyclopenta[b]naphthalene?
The IUPAC name of 4-fluoro-9,9a-dihydro-1H-cyclopenta[b]naphthalene (CID 69427838) is 4-fluoro-9,9a-dihydro-1H-cyclopenta[b]naphthalene.
What is the SMILES notation for 4-fluoro-9,9a-dihydro-1H-cyclopenta[b]naphthalene?
The canonical SMILES for 4-fluoro-9,9a-dihydro-1H-cyclopenta[b]naphthalene is FC1=C2C=CCC2Cc2ccccc21.
What is the InChIKey of 4-fluoro-9,9a-dihydro-1H-cyclopenta[b]naphthalene?
The InChIKey is UFAWPBDRXXTDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F/c14-13-11-6-2-1-4-9(11)8-10-5-3-7-12(10)13/h1-4,6-7,10H,5,8H2.
What are the key properties of 4-fluoro-9,9a-dihydro-1H-cyclopenta[b]naphthalene?
4-fluoro-9,9a-dihydro-1H-cyclopenta[b]naphthalene has a molecular weight of 186.23 g/mol, XLogP of 3.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-9,9a-dihydro-1H-cyclopenta[b]naphthalene is sourced from PubChem (CID 69427838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).